[Pw_forum] plotting bandstructure
gautamg88 at gmail.com
Mon Oct 9 19:33:22 CEST 2017
Thank you Manu.
DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
UNIVERSITY OF TEXAS AT DALLAS
On Mon, Oct 9, 2017 at 12:17 PM, Manu Hegde <mhegde at uwaterloo.ca> wrote:
> .gnu file gives energies in ryd. so you have to convert that into eV.
> I am not sure about calculating band structure using mesh, I always use
> high symmetric specific k-points. experts can give some feedback.
> (University of Waterloo)
> On Mon, Oct 9, 2017 at 12:42 PM, Gautam Gaddemane <gautamg88 at gmail.com>
>> Hello All,
>> I am new to QE and I am trying to use bands.x to plot the band structure.
>> The band energies I obtain look right in the output file but the .gnu file
>> has wrong energies.
>> Could anyone please describe how to use bands.x for me please
>> I have another question: I need to calculate the band structure on a mesh
>> and I need to obtain it in a readable file format. How do I do that ?
>> Thank you
>> GAUTAM GADDEMANE
>> DEPARTMENT OF MATERIALS SCIENCE AND ENGINEERING
>> UNIVERSITY OF TEXAS AT DALLAS
>> Pw_forum mailing list
>> Pw_forum at pwscf.org
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